9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene

C50H32 — CID 59136606

IUPAC9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)ccc2c1
InChIInChI=1S/C50H32/c1-4-12-38-29-41(24-21-33(38)9-1)36-17-19-37(20-18-36)42-27-28-47-48(32-42)50(44-26-23-35-11-3-6-14-40(35)31-44)46-16-8-7-15-45(46)49(47)43-25-22-34-10-2-5-13-39(34)30-43/h1-32H
InChIKeyWJJZPNGSDXRMHI-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene

9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 59136606) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID59136606
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)ccc2c1
InChIInChI=1S/C50H32/c1-4-12-38-29-41(24-21-33(38)9-1)36-17-19-37(20-18-36)42-27-28-47-48(32-42)50(44-26-23-35-11-3-6-14-40(35)31-44)46-16-8-7-15-45(46)49(47)43-25-22-34-10-2-5-13-39(34)30-43/h1-32H
InChIKeyWJJZPNGSDXRMHI-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene (CID 59136606) is 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene is c1ccc2cc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)ccc2c1.
What is the InChIKey of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is WJJZPNGSDXRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-4-12-38-29-41(24-21-33(38)9-1)36-17-19-37(20-18-36)42-27-28-47-48(32-42)50(44-26-23-35-11-3-6-14-40(35)31-44)46-16-8-7-15-45(46)49(47)43-25-22-34-10-2-5-13-39(34)30-43/h1-32H.
What are the key properties of 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene?
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 59136606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).